2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(6-fluoranylquinolin-4-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(6-fluoro-4-quinolyl)sulfanyl]-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(6-fluoro-4-quinolinyl)thio]-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(6-fluoroquinolin-4-yl)sulfanyl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(6-fluoro-4-quinolyl)thio]-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C21H22FN3OS2 MolecularWeight: 415.547283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSC2=C3C=C(C=CC3=NC=C2)F)CC4=CSC=C4

InChI

InChI=1S/C21H22FN3OS2/c22-17-2-3-19-18(12-17)20(4-6-23-19)28-15-21(26)25-8-1-7-24(9-10-25)13-16-5-11-27-14-16/h2-6,11-12,14H,1,7-10,13,15H2